2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(2,4,6-trimethylphenyl)benzamide

C27H26N2O4 — CID 100508304

IUPAC2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(2,4,6-trimethylphenyl)benzamide
SMILESCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3c(C)cc(C)cc3C)o2)c(OC)c1
InChIInChI=1S/C27H26N2O4/c1-16-12-17(2)25(18(3)13-16)29-26(30)20-8-6-7-9-21(20)27-28-15-24(33-27)22-11-10-19(31-4)14-23(22)32-5/h6-15H,1-5H3,(H,29,30)
InChIKeyGRJPHEGUEHHLAF-UHFFFAOYSA-N
MW442.52 g/mol
LogP6.20
Rot. Bonds6

About 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(2,4,6-trimethylphenyl)benzamide

2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(2,4,6-trimethylphenyl)benzamide (PubChem CID 100508304) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound Name2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(2,4,6-trimethylphenyl)benzamide
PubChem CID100508304
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(2,4,6-trimethylphenyl)benzamide
SMILESCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3c(C)cc(C)cc3C)o2)c(OC)c1
InChIInChI=1S/C27H26N2O4/c1-16-12-17(2)25(18(3)13-16)29-26(30)20-8-6-7-9-21(20)27-28-15-24(33-27)22-11-10-19(31-4)14-23(22)32-5/h6-15H,1-5H3,(H,29,30)
InChIKeyGRJPHEGUEHHLAF-UHFFFAOYSA-N
XLogP6.20
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 100506960
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)benzamide
CID 100507572
N-(3,4-dimethoxyphenyl)-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100507661
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide
CID 100507780
N-benzhydryl-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100508470
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100508362
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 133150106
2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)benzamide
CID 100500293
[2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 100508247
N-(4-chloro-2,5-dimethoxyphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100503547
N-(2,3-dimethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502178
N-(5-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502448

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(2,4,6-trimethylphenyl)benzamide?
The IUPAC name of 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(2,4,6-trimethylphenyl)benzamide (CID 100508304) is 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(2,4,6-trimethylphenyl)benzamide is COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3c(C)cc(C)cc3C)o2)c(OC)c1.
What is the InChIKey of 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(2,4,6-trimethylphenyl)benzamide?
The InChIKey is GRJPHEGUEHHLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-16-12-17(2)25(18(3)13-16)29-26(30)20-8-6-7-9-21(20)27-28-15-24(33-27)22-11-10-19(31-4)14-23(22)32-5/h6-15H,1-5H3,(H,29,30).
What are the key properties of 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(2,4,6-trimethylphenyl)benzamide?
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(2,4,6-trimethylphenyl)benzamide has a molecular weight of 442.52 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 100508304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).